Molecule ID: mol13467
SMILES: Cc1cc(O)n(C2CCN(C)CC2)n1
InChI: InChI=1S/C10H17N3O/c1-8-7-10(14)13(11-8)9-3-5-12(2)6-4-9/h7,9,14H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.63 | Datawarrior | 1 » 0 |
| 6.63 | OCHEM | 1 » 0 |
| 9.00 | Datawarrior | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |